Cas no 828922-44-7 (1,2,4,5-Benzenetetracarboxylic acid, 3-bromo-)
828922-44-7 structure
Product Name:1,2,4,5-Benzenetetracarboxylic acid, 3-bromo-
CAS No:828922-44-7
MF:C10H5BrO8
MW:333.045902967453
CID:680762
PubChem ID:71416776
Update Time:2025-04-19
1,2,4,5-Benzenetetracarboxylic acid, 3-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4,5-Benzenetetracarboxylic acid, 3-bromo-
- 3-bromobenzene-1,2,4,5-tetracarboxylic acid
- DTXSID90836138
- SCHEMBL22802151
- 828922-44-7
-
- Inchi： 1S/C10H5BrO8/c11-6-4(9(16)17)2(7(12)13)1-3(8(14)15)5(6)10(18)19/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
- InChI Key： KNVUXNXDPIRMDH-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=O)O)C(C(=O)O)=CC(C(=O)O)=C1C(=O)O
Computed Properties
- Exact Mass: 331.91678g/mol
- Monoisotopic Mass: 331.91678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 149?2
1,2,4,5-Benzenetetracarboxylic acid, 3-bromo- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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